Materials Data on B6O by Materials Project

B6O crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent B sites. In the first B site, B is bonded in a single-bond geometry to three equivalent B and one O atom. There is two shorter (1.78 Å) and one longer (1.81 Å) B–B bond length. The B–O bond length is 1.50 Å. In the second B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.70 Å) and two longer (1.78 Å) B–B bond length. O is bonded in a trigonal planar geometry to three equivalent B atoms.